9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine

C15H11N3O — CID 1274258

IUPAC9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine
SMILES[H]/N=c1\c2ccccc2nc2oc3ccc(C)cc3n12
InChIInChI=1S/C15H11N3O/c1-9-6-7-13-12(8-9)18-14(16)10-4-2-3-5-11(10)17-15(18)19-13/h2-8,16H,1H3/b16-14+
InChIKeyZAKMSVGKSKZQAI-JQIJEIRASA-N
MW249.27 g/mol
LogP3.02
Rot. Bonds

About 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine

9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine (PubChem CID 1274258) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine.

Molecular Properties

Compound Name9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine
PubChem CID1274258
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine
SMILES[H]/N=c1\c2ccccc2nc2oc3ccc(C)cc3n12
InChIInChI=1S/C15H11N3O/c1-9-6-7-13-12(8-9)18-14(16)10-4-2-3-5-11(10)17-15(18)19-13/h2-8,16H,1H3/b16-14+
InChIKeyZAKMSVGKSKZQAI-JQIJEIRASA-N
XLogP3.02
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine?
The IUPAC name of 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine (CID 1274258) is 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine.
What is the SMILES notation for 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine?
The canonical SMILES for 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine is [H]/N=c1\c2ccccc2nc2oc3ccc(C)cc3n12.
What is the InChIKey of 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine?
The InChIKey is ZAKMSVGKSKZQAI-JQIJEIRASA-N. The full InChI is InChI=1S/C15H11N3O/c1-9-6-7-13-12(8-9)18-14(16)10-4-2-3-5-11(10)17-15(18)19-13/h2-8,16H,1H3/b16-14+.
What are the key properties of 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine?
9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine has a molecular weight of 249.27 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine is sourced from PubChem (CID 1274258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).